SCHEMBL1234281

SCHEMBL1234281

O=C(O)Nc1ccncc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.70
TAAR1 Q96RJ0 2/20 0.65
KDM4E B2RXH2 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TYK2 P29597 2/20 0.61
JAK2 O60674 1/20 0.61
BCHE P06276 1/20 0.59
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
STAT3 P40763 1/20 0.53
NT5E P21589 1/20 0.52
EPHX1 P07099 1/20 0.52
PKM P14618 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Carbamic Acid SCHEMBL28283812 0.93 MDM2 (0.61) MDM2TAAR1KDM4EL3MBTL1TYK2
Piperazine SCHEMBL28109664 0.88 MDM2 (0.55) MDM2TAAR1KDM4EL3MBTL1TYK2
SCHEMBL4516268 0.87 ROCK2 (0.57) MDM2TAAR1KDM4EL3MBTL1TYK2
SCHEMBL10020286 0.82 MDM2 (1.00) MDM2TAAR1KDM4EL3MBTL1GAA
SCHEMBL28787047 0.81 MDM2 (0.64) MDM2TAAR1KDM4EL3MBTL1TYK2
SCHEMBL10778839 0.81 SMN1; SMN2 (0.52) TAAR1L3MBTL1GAAKMT2AHTT
SCHEMBL6061912 0.80 MDM2 (0.70) MDM2TAAR1KDM4EL3MBTL1TYK2
SCHEMBL31668740 0.80 MDM2 (0.95) MDM2TAAR1KDM4EL3MBTL1GAA
Acetic Acid SCHEMBL9762020 0.79 TSHR (0.65) MDM2TAAR1KDM4EL3MBTL1TYK2
SCHEMBL305498 0.79 TAAR1 (1.00) MDM2TAAR1TYK2JAK2BCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN claimed
EP-3484894-B1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP claimed
CN-109689664-A The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces 百时美施贵宝公司 2019-04-26 CN claimed
EP-2699557-B1 3-(OXAZOL-2-YL-ETHOXY)- AND 3-(THIAZOL-2-YL-ETHOXY)-BENZAMIDE DERIVATIVES AS ANTI-BACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2017-08-16 EP claimed
EP-1893200-B1 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2010-09-29 EP claimed
US-20090082399-A1 Carbamate derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2009-03-26 US claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 US claimed
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 EP claimed
US-6509352-B1 Selectively act on cannabinoid receptors, particularly on peripheral type cannabinoid receptors, and have fewer side effects on the central nervous system, having great immunosuppressive action, anti-inflammatory action or JAPAN TOBACCO INC. (JP) 2003-01-21 US claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
CN-1337950-A 2-oxoquinoline compounds and medicinal uses thereof JAPAN TOBACCO INC (JP) 2002-02-27 CN claimed
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 EP claimed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed
US-4426523-A Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones BAYER AKTIENGESELLSCHAFT (DE) 1984-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090082399-A1 Carbamate derivatives as positive allosteric modulators of metabotropic glutamate receptors GRM5, GRIK5, GRM1 MDM2 4729/4885TAAR1 353/4885KDM4E 714/4885
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof CNR2, CNR1, OPRL1 MDM2 3043/4885TAAR1 656/4885KDM4E 1771/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MDM2 1250/4885TAAR1 4546/4885KDM4E 4386/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.